| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:05 UTC |
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| Update Date | 2025-03-21 17:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011025 |
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| Frequency | 422.7 |
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| Structure | |
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| Chemical Formula | C8H5Cl3O |
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| Molecular Mass | 221.9406 |
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| SMILES | O=C(c1ccccc1)C(Cl)(Cl)Cl |
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| InChI Key | OAMHTTBNEJBIKA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-chloroketonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonealkyl chlorideorganochloridebenzoylorganohalogen compoundalpha-chloroketonearomatic homomonocyclic compoundorganic oxidealpha-haloketonealkyl halidehydrocarbon derivativebenzenoidalkyl-phenylketone |
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